7-butanoyl-9-hexyl-8-oxidanyl-pentadecane-6,7,8-tricarboxylic acid

Systemtic Name: 7-butanoyl-9-hexyl-8-oxidanyl-pentadecane-6,7,8-tricarboxylic acid Openeye Name: 7-butanoyl-9-hexyl-8-hydroxy-pentadecane-6,7,8-tricarboxylic acid CAS Name: 7-hexyl-8-hydroxy-9-(1-oxobutyl)pentadecane-6,7,8-tricarboxylic acid IUPAC Name: 7-butanoyl-9-hexyl-8-hydroxypentadecane-6,7,8-tricarboxylic acid Traditional Name: 7-butyryl-9-hexyl-8-hydroxy-pentadecane-6,7,8-tricarboxylic acid Formula: C28H50O8 MolecularWeight: 514.6918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)(C(=O)O)C(C(=O)O)(C(CCCCCC)(C(=O)CCC)C(=O)O)O

Isomeric SMILES

CCCCCCC(CCCCCC)(C(=O)O)C(C(=O)O)(C(CCCCCC)(C(=O)CCC)C(=O)O)O

InChI

InChI=1S/C28H50O8/c1-5-9-12-15-19-26(23(30)31,20-16-13-10-6-2)28(36,25(34)35)27(24(32)33,22(29)18-8-4)21-17-14-11-7-3/h36H,5-21H2,1-4H3,(H,30,31)(H,32,33)(H,34,35)